Geometry & MOs

Info

ID:

185176

PubChem CID:

77265683

Reduced:

O3N4H14C15 (1)

Stoich.:

A3B4C14D15 (1)

Weight, g/mol:

628.3142

ΔHf, kcal/mol:

-46.27

Dipole, Da:

6.21

IP(EA), eV:

 -9.39(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl)sulfamoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=N1)C2=CN=CC(=C2)C=CC(=O)O)C(=O)N

DOS

IR

Vibrations